1-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[2-(3-acetylanilino)-2-oxo-ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[2-(3-acetylanilino)-2-oxoethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[2-(3-acetylanilino)-2-oxoethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-[2-(3-acetylanilino)-2-keto-ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C14H13N5O5 MolecularWeight: 331.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(C(=N2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(C(=N2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O5/c1-8(20)9-3-2-4-10(5-9)16-12(21)7-18-6-11(19(23)24)13(17-18)14(15)22/h2-6H,7H2,1H3,(H2,15,22)(H,16,21)