[[4-[(2-bromophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-[(2-bromophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(2-bromobenzoyl)azoanilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(2-bromophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2-bromobenzoyl)diazenyl]anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(2-bromobenzoyl)azoanilino] ester Formula: C20H13BrN4O5 MolecularWeight: 469.24502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H13BrN4O5/c21-18-7-2-1-6-17(18)19(26)23-22-14-8-10-15(11-9-14)24-30-20(27)13-4-3-5-16(12-13)25(28)29/h1-12,24H