[6-cyano-4-[(N-cyano-N'-methyl-carbamimidoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [6-cyano-4-[(N-cyano-N'-methyl-carbamimidoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [6-cyano-4-[(N-cyano-N'-methyl-carbamimidoyl)amino]-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-4-[[(cyanoamino)-methyliminomethyl]amino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-4-[(N-cyano-N'-methylcarbamimidoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-[(N-cyano-N'-methyl-amidino)amino]-2,2-dimethyl-chroman-3-yl] ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)NC(=NC)NC#N

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)NC(=NC)NC#N

InChI

InChI=1S/C17H19N5O3/c1-10(23)24-15-14(22-16(20-4)21-9-19)12-7-11(8-18)5-6-13(12)25-17(15,2)3/h5-7,14-15H,1-4H3,(H2,20,21,22)