methyl 4-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoate

Systemtic Name: methyl 4-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoate Openeye Name: methyl 4-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoate CAS Name: 4-[[3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoate Traditional Name: 4-[[3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid methyl ester Formula: C18H14N2O7 MolecularWeight: 370.31296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H14N2O7/c1-25-18(22)11-2-5-13(6-3-11)19-17(21)7-4-12-8-15-16(27-10-26-15)9-14(12)20(23)24/h2-9H,10H2,1H3,(H,19,21)