3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-4-[(phenylmethyl)amino]benzamide

Systemtic Name: 3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-(benzylamino)-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-nitro-benzamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-3-11-21-19(25)14(2)23-20(26)16-9-10-17(18(12-16)24(27)28)22-13-15-7-5-4-6-8-15/h4-10,12,14,22H,3,11,13H2,1-2H3,(H,21,25)(H,23,26)/t14-/m0/s1