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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O7/c1-2-26-19(23)13-4-3-5-14(8-13)20-18(22)7-6-12-9-16-17(28-11-27-16)10-15(12)21(24)25/h3-10H,2,11H2,1H3,(H,20,22)/b7-6+