[(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H16ClN3O7 MolecularWeight: 469.83134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O7/c1-13-6-5-9-18(26(31)32)19(13)22(28)33-20(14-7-3-2-4-8-14)21(27)24-17-11-10-15(25(29)30)12-16(17)23/h2-12,20H,1H3,(H,24,27)/t20-/m0/s1