2-(2-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: 2-(2-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-(o-tolyl)prop-2-enoic acid CAS Name: 2-(2-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: 2-(2-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-(o-tolyl)acrylic acid Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O

InChI

InChI=1S/C17H13NO6/c1-10-4-2-3-5-12(10)13(17(19)20)6-11-7-15-16(24-9-23-15)8-14(11)18(21)22/h2-8H,9H2,1H3,(H,19,20)