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

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13ClN4O7 MolecularWeight: 408.75002

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H13ClN4O7/c1-8(15(22)19-13-5-3-10(20(24)25)7-11(13)17)28-16(23)9-2-4-12(18)14(6-9)21(26)27/h2-8H,18H2,1H3,(H,19,22)/t8-/m1/s1