3-[(2-nitrophenyl)carbonylamino]-5-phenyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 3-[(2-nitrophenyl)carbonylamino]-5-phenyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-[(2-nitrobenzoyl)amino]-5-phenyl-triazole-4-carboxylic acid CAS Name: 3-[[(2-nitrophenyl)-oxomethyl]amino]-5-phenyl-4-triazolecarboxylic acid IUPAC Name: 3-[(2-nitrobenzoyl)amino]-5-phenyltriazole-4-carboxylic acid Traditional Name: 3-[(2-nitrobenzoyl)amino]-5-phenyl-triazole-4-carboxylic acid Formula: C16H11N5O5 MolecularWeight: 353.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11N5O5/c22-15(11-8-4-5-9-12(11)21(25)26)18-20-14(16(23)24)13(17-19-20)10-6-2-1-3-7-10/h1-9H,(H,18,22)(H,23,24)