methyl 2-[(E)-2-(dimethylamino)ethenyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[(E)-2-(dimethylamino)ethenyl]-3-nitro-benzoate Openeye Name: methyl 2-[(E)-2-(dimethylamino)vinyl]-3-nitro-benzoate CAS Name: 2-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate Traditional Name: 2-[(E)-2-(dimethylamino)vinyl]-3-nitro-benzoic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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