2-[(2-methylphenyl)methylamino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-[(2-methylphenyl)methylamino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-(o-tolylmethylamino)ethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-[(2-methylphenyl)methylamino]ethyl ester IUPAC Name: 2-[(2-methylphenyl)methylamino]ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-[(2-methylbenzyl)amino]ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCCOC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNCCOC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C

InChI

InChI=1S/C21H22N2O5/c1-15-6-3-4-8-18(15)14-22-10-11-28-21(25)20(16(2)24)13-17-7-5-9-19(12-17)23(26)27/h3-9,12-13,22H,10-11,14H2,1-2H3/b20-13+