2-[bis(prop-2-enyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[bis(prop-2-enyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(diallylamino)-5-nitro-benzoic acid CAS Name: 2-[bis(prop-2-enyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[bis(prop-2-enyl)amino]-5-nitrobenzoic acid Traditional Name: 2-(diallylamino)-5-nitro-benzoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C=CCN(CC=C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N2O4/c1-3-7-14(8-4-2)12-6-5-10(15(18)19)9-11(12)13(16)17/h3-6,9H,1-2,7-8H2,(H,16,17)