2-[(2,4-dinitrophenyl)carbonyl-(4-nitrophenyl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)carbonyl-(4-nitrophenyl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(2,4-dinitrobenzoyl)-(4-nitrophenyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(N-[(2,4-dinitrophenyl)-oxomethyl]-4-nitroanilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(2,4-dinitrobenzoyl)-(4-nitrophenyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(2,4-dinitrobenzoyl)-(4-nitrophenyl)carbamoyl]-3-nitro-benzoic acid Formula: C21H11N5O12 MolecularWeight: 525.33834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11N5O12/c27-19(14-9-8-13(24(33)34)10-17(14)26(37)38)22(11-4-6-12(7-5-11)23(31)32)20(28)18-15(21(29)30)2-1-3-16(18)25(35)36/h1-10H,(H,29,30)