2-[(3-methoxyphenyl)-(3-nitrophenyl)carbonyl-carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(3-methoxyphenyl)-(3-nitrophenyl)carbonyl-carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(3-methoxyphenyl)-(3-nitrobenzoyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(3-methoxy-N-[(3-nitrophenyl)-oxomethyl]anilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(3-methoxyphenyl)-(3-nitrobenzoyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(3-methoxyphenyl)-(3-nitrobenzoyl)carbamoyl]-3-nitro-benzoic acid Formula: C22H15N3O9 MolecularWeight: 465.3692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H15N3O9/c1-34-16-8-3-6-14(12-16)23(20(26)13-5-2-7-15(11-13)24(30)31)21(27)19-17(22(28)29)9-4-10-18(19)25(32)33/h2-12H,1H3,(H,28,29)