N-cyclopropyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitro-benzamide Openeye Name: 4-[(4-allyloxyphenyl)methyl-methyl-amino]-N-cyclopropyl-3-nitro-benzamide CAS Name: N-cyclopropyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-4-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-3-nitrobenzamide Traditional Name: 4-[(4-allyloxybenzyl)-methyl-amino]-N-cyclopropyl-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-3-12-28-18-9-4-15(5-10-18)14-23(2)19-11-6-16(13-20(19)24(26)27)21(25)22-17-7-8-17/h3-6,9-11,13,17H,1,7-8,12,14H2,2H3,(H,22,25)