3-[(4-nitrophenyl)carbamoylamino]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[(4-nitrophenyl)carbamoylamino]quinoxaline-2-carboxylic acid Openeye Name: 3-[(4-nitrophenyl)carbamoylamino]quinoxaline-2-carboxylic acid CAS Name: 3-[[(4-nitroanilino)-oxomethyl]amino]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(4-nitrophenyl)carbamoylamino]quinoxaline-2-carboxylic acid Traditional Name: 3-[(4-nitrophenyl)carbamoylamino]quinoxaline-2-carboxylic acid Formula: C16H11N5O5 MolecularWeight: 353.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11N5O5/c22-15(23)13-14(19-12-4-2-1-3-11(12)18-13)20-16(24)17-9-5-7-10(8-6-9)21(25)26/h1-8H,(H,22,23)(H2,17,19,20,24)