4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]benzamide Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-5-19-17(24)12(3)20-18(25)15-8-6-14(7-9-15)10-22-13(4)16(23(26)27)11(2)21-22/h6-9,12H,5,10H2,1-4H3,(H,19,24)(H,20,25)/t12-/m0/s1