4-[[2-(aminocarbonylamino)-4-(methylamino)phenyl]diazenyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[2-(aminocarbonylamino)-4-(methylamino)phenyl]diazenyl]-3-nitro-benzoic acid Openeye Name: 4-[4-(methylamino)-2-ureido-phenyl]azo-3-nitro-benzoic acid CAS Name: 4-[2-(carbamoylamino)-4-(methylamino)phenyl]azo-3-nitrobenzoic acid IUPAC Name: 4-[[2-(carbamoylamino)-4-(methylamino)phenyl]diazenyl]-3-nitrobenzoic acid Traditional Name: 4-[4-(methylamino)-2-ureido-phenyl]azo-3-nitro-benzoic acid Formula: C15H14N6O5 MolecularWeight: 358.30886

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CNC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C15H14N6O5/c1-17-9-3-5-10(12(7-9)18-15(16)24)19-20-11-4-2-8(14(22)23)6-13(11)21(25)26/h2-7,17H,1H3,(H,22,23)(H3,16,18,24)