methyl (Z)-3-azanylbut-2-enoate; methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (Z)-3-azanylbut-2-enoate; methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (Z)-3-aminobut-2-enoate; methyl (2E)-2-[(2-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (Z)-3-amino-2-butenoic acid methyl ester; (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (Z)-3-aminobut-2-enoate; methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-nitrophenyl)acrylic acid methyl ester; (Z)-3-aminobut-2-enoic acid methyl ester Formula: C17H20N2O7 MolecularWeight: 364.3499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)N.CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

C/C(=C/C(=O)OC)/N.CC(=O)/C(=C\C1=CC=CC=C1[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C12H11NO5.C5H9NO2/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17;1-4(6)3-5(7)8-2/h3-7H,1-2H3;3H,6H2,1-2H3/b10-7+;4-3-