methyl 2-[(2R)-1-(8-methoxy-6-nitro-2-oxidanylidene-chromen-3-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-(8-methoxy-6-nitro-2-oxidanylidene-chromen-3-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-(8-methoxy-6-nitro-2-oxo-chromene-3-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(8-methoxy-6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(8-methoxy-6-nitro-2-oxochromene-3-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(2-keto-8-methoxy-6-nitro-chromene-3-carbonyl)piperazin-2-yl]acetic acid methyl ester Formula: C18H17N3O9 MolecularWeight: 419.34228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCNC(=O)[C@H]3CC(=O)OC

InChI

InChI=1S/C18H17N3O9/c1-28-13-7-10(21(26)27)5-9-6-11(18(25)30-15(9)13)17(24)20-4-3-19-16(23)12(20)8-14(22)29-2/h5-7,12H,3-4,8H2,1-2H3,(H,19,23)/t12-/m1/s1