N-[(4-methylphenyl)methyl]-5-[[(3-nitrophenyl)carbonyl-prop-2-enyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[[(3-nitrophenyl)carbonyl-prop-2-enyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[allyl-(3-nitrobenzoyl)amino]methyl]-N-(p-tolylmethyl)isoxazole-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[[(3-nitrophenyl)-oxomethyl]-prop-2-enylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[[(3-nitrobenzoyl)-prop-2-enylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[allyl-(3-nitrobenzoyl)amino]methyl]-N-(4-methylbenzyl)isoxazole-3-carboxamide Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5/c1-3-11-26(23(29)18-5-4-6-19(12-18)27(30)31)15-20-13-21(25-32-20)22(28)24-14-17-9-7-16(2)8-10-17/h3-10,12-13H,1,11,14-15H2,2H3,(H,24,28)