[(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O6/c1-10(17(23)21-12-5-7-16(27-3)13(19)9-12)28-18(24)11-4-6-14(20-2)15(8-11)22(25)26/h4-10,20H,1-3H3,(H,21,23)/t10-/m0/s1