methyl 4-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethoxy]-3-nitro-benzoate CAS Name: 4-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethoxy]-3-nitrobenzoate Traditional Name: 4-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-19-18(24)20-16(22)15(11-6-4-3-5-7-11)28-14-9-8-12(17(23)27-2)10-13(14)21(25)26/h3-10,15H,1-2H3,(H2,19,20,22,24)/t15-/m0/s1