ethyl (3R)-3-[(8-methoxy-6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: ethyl (3R)-3-[(8-methoxy-6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: ethyl (3R)-3-[(8-methoxy-6-nitro-2-oxo-chromene-3-carbonyl)amino]-3-(p-tolyl)propanoate CAS Name: (3R)-3-[[(8-methoxy-6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(8-methoxy-6-nitro-2-oxochromene-3-carbonyl)amino]-3-(4-methylphenyl)propanoate Traditional Name: (3R)-3-[(2-keto-8-methoxy-6-nitro-chromene-3-carbonyl)amino]-3-(p-tolyl)propionic acid ethyl ester Formula: C23H22N2O8 MolecularWeight: 454.42938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[C@H](C1=CC=C(C=C1)C)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O8/c1-4-32-20(26)12-18(14-7-5-13(2)6-8-14)24-22(27)17-10-15-9-16(25(29)30)11-19(31-3)21(15)33-23(17)28/h5-11,18H,4,12H2,1-3H3,(H,24,27)/t18-/m1/s1