2-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoic acid

Systemtic Name: 2-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoic acid Openeye Name: 2-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoic acid CAS Name: 2-[[3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoylamino]benzoic acid Traditional Name: 2-[[3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid Formula: C17H12N2O7 MolecularWeight: 356.28638

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O7/c20-16(18-12-4-2-1-3-11(12)17(21)22)6-5-10-7-14-15(26-9-25-14)8-13(10)19(23)24/h1-8H,9H2,(H,18,20)(H,21,22)