[(2S,3S,4S)-4-[[N-cyano-N'-(phenylmethyl)carbamimidoyl]amino]-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [(2S,3S,4S)-4-[[N-cyano-N'-(phenylmethyl)carbamimidoyl]amino]-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [(2S,3S,4S)-4-[(N'-benzyl-N-cyano-carbamimidoyl)amino]-2-(dimethoxymethyl)-2-methyl-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [(2S,3S,4S)-4-[[(cyanoamino)-(phenylmethyl)iminomethyl]amino]-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S,4S)-4-[(N'-benzyl-N-cyanocarbamimidoyl)amino]-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4S)-4-[(N'-benzyl-N-cyano-amidino)amino]-2-(dimethoxymethyl)-2-methyl-6-nitro-chroman-3-yl] ester Formula: C24H27N5O7 MolecularWeight: 497.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C(OC)OC)NC(=NCC3=CC=CC=C3)NC#N

Isomeric SMILES

CC(=O)O[C@H]1[C@H](C2=C(C=CC(=C2)[N+](=O)[O-])O[C@]1(C)C(OC)OC)NC(=NCC3=CC=CC=C3)NC#N

InChI

InChI=1S/C24H27N5O7/c1-15(30)35-21-20(28-23(27-14-25)26-13-16-8-6-5-7-9-16)18-12-17(29(31)32)10-11-19(18)36-24(21,2)22(33-3)34-4/h5-12,20-22H,13H2,1-4H3,(H2,26,27,28)/t20-,21-,24-/m0/s1