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

Systemtic Name: methyl 4-methyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-methyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid methyl ester Formula: C19H16N2O7 MolecularWeight: 384.33954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H16N2O7/c1-11-3-4-13(19(23)26-2)7-14(11)20-18(22)6-5-12-8-16-17(28-10-27-16)9-15(12)21(24)25/h3-9H,10H2,1-2H3,(H,20,22)/b6-5+