N-(2-methyl-5-nitro-phenyl)-4-[(prop-2-enoylamino)methyl]benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-[(prop-2-enoylamino)methyl]benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-[(prop-2-enoylamino)methyl]benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-[(1-oxoprop-2-enylamino)methyl]benzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-[(prop-2-enoylamino)methyl]benzamide Traditional Name: 4-(acrylamidomethyl)-N-(2-methyl-5-nitro-phenyl)benzamide Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CNC(=O)C=C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CNC(=O)C=C

InChI

InChI=1S/C18H17N3O4/c1-3-17(22)19-11-13-5-7-14(8-6-13)18(23)20-16-10-15(21(24)25)9-4-12(16)2/h3-10H,1,11H2,2H3,(H,19,22)(H,20,23)