2-methoxyethyl (2E)-2-[[4-[methyl(phenyl)amino]-3-nitro-phenyl]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl (2E)-2-[[4-[methyl(phenyl)amino]-3-nitro-phenyl]methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl (2E)-2-[[4-(N-methylanilino)-3-nitro-phenyl]methylene]-3-oxo-butanoate CAS Name: (2E)-2-[[4-(N-methylanilino)-3-nitrophenyl]methylidene]-3-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (2E)-2-[[4-(N-methylanilino)-3-nitrophenyl]methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-[4-(N-methylanilino)-3-nitro-phenyl]acrylic acid 2-methoxyethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C=C1)N(C)C2=CC=CC=C2)[N+](=O)[O-])/C(=O)OCCOC

InChI

InChI=1S/C21H22N2O6/c1-15(24)18(21(25)29-12-11-28-3)13-16-9-10-19(20(14-16)23(26)27)22(2)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3/b18-13+