2,5-dimethyl-4-nitro-N-[(Z)-[(3S)-3-phenylbutylidene]amino]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-[(Z)-[(3S)-3-phenylbutylidene]amino]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-[(Z)-[(3S)-3-phenylbutylidene]amino]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[(Z)-[(3S)-3-phenylbutylidene]amino]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-[(Z)-[(3S)-3-phenylbutylidene]amino]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[(Z)-[(3S)-3-phenylbutylidene]amino]pyrazole-3-carboxamide Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CCC(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N/N=C\C[C@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C16H19N5O3/c1-11(13-7-5-4-6-8-13)9-10-17-18-16(22)15-14(21(23)24)12(2)19-20(15)3/h4-8,10-11H,9H2,1-3H3,(H,18,22)/b17-10-/t11-/m0/s1