[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[(1R,2S)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[[(1R,2S)-1-carbomethoxy-2-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O7/c1-4-13(2)18(20(26)29-3)21-17(24)12-30-19(25)14-7-8-15(16(11-14)23(27)28)22-9-5-6-10-22/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3,(H,21,24)/t13-,18+/m0/s1