N-[(2S)-butan-2-yl]-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide CAS Name: N-[(2S)-butan-2-yl]-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-3-14(2)21-20(25)17-9-4-5-10-18(17)22-19(24)12-11-15-7-6-8-16(13-15)23(26)27/h4-14H,3H2,1-2H3,(H,21,25)(H,22,24)/b12-11+/t14-/m0/s1