(2S)-2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]propanamide

Systemtic Name: (2S)-2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]propanamide Openeye Name: (2S)-2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[(Z)-o-tolylmethyleneamino]propanamide CAS Name: (2S)-2-(3-methoxy-4-nitro-1-pyrazolyl)-N-[(Z)-(2-methylphenyl)methylideneamino]propanamide IUPAC Name: (2S)-2-(3-methoxy-4-nitropyrazol-1-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]propanamide Traditional Name: (2S)-2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[(Z)-(2-methylbenzylidene)amino]propionamide Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1/C=N\NC(=O)[C@H](C)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c1-10-6-4-5-7-12(10)8-16-17-14(21)11(2)19-9-13(20(22)23)15(18-19)24-3/h4-9,11H,1-3H3,(H,17,21)/b16-8-/t11-/m0/s1