methyl 4-[(Z)-3-azanylbut-2-en-2-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(Z)-3-azanylbut-2-en-2-yl]-3-nitro-benzoate Openeye Name: methyl 4-[(Z)-2-amino-1-methyl-prop-1-enyl]-3-nitro-benzoate CAS Name: 4-[(Z)-3-aminobut-2-en-2-yl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-3-aminobut-2-en-2-yl]-3-nitrobenzoate Traditional Name: 4-[(Z)-2-amino-1-methyl-prop-1-enyl]-3-nitro-benzoic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c1-7(8(2)13)10-5-4-9(12(15)18-3)6-11(10)14(16)17/h4-6H,13H2,1-3H3/b8-7-