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2-[(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoyl]benzoic acid

2-[(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name:2-[(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoyl]benzoic acid
Openeye Name:2-[(E)-3-(3,4-dihydroxy-5-nitro-phenyl)prop-2-enoyl]benzoic acid
CAS Name:2-[(E)-3-(3,4-dihydroxy-5-nitrophenyl)-1-oxoprop-2-enyl]benzoic acid
IUPAC Name:2-[(E)-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoyl]benzoic acid
Traditional Name:2-[(E)-3-(3,4-dihydroxy-5-nitro-phenyl)acryloyl]benzoic acid
Formula: C16H11NO7
MolecularWeight: 329.26104
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C=CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C16H11NO7/c18-13(10-3-1-2-4-11(10)16(21)22)6-5-9-7-12(17(23)24)15(20)14(19)8-9/h1-8,19-20H,(H,21,22)/b6-5+


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