[(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13Cl2N3O5 MolecularWeight: 398.19752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N3O5/c1-8(15(22)20-13-5-3-10(17)7-11(13)18)26-16(23)9-2-4-12(19)14(6-9)21(24)25/h2-8H,19H2,1H3,(H,20,22)/t8-/m1/s1