phenyl 4-[(4-azanyl-3-chloranyl-phenyl)amino]-3-nitro-benzoate

Systemtic Name: phenyl 4-[(4-azanyl-3-chloranyl-phenyl)amino]-3-nitro-benzoate Openeye Name: phenyl 4-(4-amino-3-chloro-anilino)-3-nitro-benzoate CAS Name: 4-(4-amino-3-chloroanilino)-3-nitrobenzoic acid phenyl ester IUPAC Name: phenyl 4-(4-amino-3-chloroanilino)-3-nitrobenzoate Traditional Name: 4-(4-amino-3-chloro-anilino)-3-nitro-benzoic acid phenyl ester Formula: C19H14ClN3O4 MolecularWeight: 383.78516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O4/c20-15-11-13(7-8-16(15)21)22-17-9-6-12(10-18(17)23(25)26)19(24)27-14-4-2-1-3-5-14/h1-11,22H,21H2