4-acetamido-3-[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]benzoic acid

Systemtic Name: 4-acetamido-3-[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]benzoic acid Openeye Name: 4-acetamido-3-[2-amino-4-(3-nitrophenyl)imidazol-1-yl]benzoic acid CAS Name: 4-acetamido-3-[2-amino-4-(3-nitrophenyl)-1-imidazolyl]benzoic acid IUPAC Name: 4-acetamido-3-[2-amino-4-(3-nitrophenyl)imidazol-1-yl]benzoic acid Traditional Name: 4-acetamido-3-[2-amino-4-(3-nitrophenyl)imidazol-1-yl]benzoic acid Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-10(24)20-14-6-5-12(17(25)26)8-16(14)22-9-15(21-18(22)19)11-3-2-4-13(7-11)23(27)28/h2-9H,1H3,(H2,19,21)(H,20,24)(H,25,26)