2-nitro-6-[phenyl-[(E)-(phenylmethylidene)amino]carbamoyl]benzoic acid

Systemtic Name: 2-nitro-6-[phenyl-[(E)-(phenylmethylidene)amino]carbamoyl]benzoic acid Openeye Name: 2-[[(E)-benzylideneamino]-phenyl-carbamoyl]-6-nitro-benzoic acid CAS Name: 2-nitro-6-[oxo-(N-[(E)-(phenylmethylene)amino]anilino)methyl]benzoic acid IUPAC Name: 2-[[(E)-benzylideneamino]-phenylcarbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[(E)-benzalamino]-phenyl-carbamoyl]-6-nitro-benzoic acid Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NN(C2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=N/N(C2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H15N3O5/c25-20(17-12-7-13-18(24(28)29)19(17)21(26)27)23(16-10-5-2-6-11-16)22-14-15-8-3-1-4-9-15/h1-14H,(H,26,27)/b22-14+