2-[[3-[(2-carboxy-5-nitro-phenyl)amino]-3-oxidanylidene-propanoyl]amino]-4-nitro-benzoic acid

Systemtic Name: 2-[[3-[(2-carboxy-5-nitro-phenyl)amino]-3-oxidanylidene-propanoyl]amino]-4-nitro-benzoic acid Openeye Name: 2-[[3-(2-carboxy-5-nitro-anilino)-3-oxo-propanoyl]amino]-4-nitro-benzoic acid CAS Name: 2-[[3-(2-carboxy-5-nitroanilino)-1,3-dioxopropyl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[[3-(2-carboxy-5-nitroanilino)-3-oxopropanoyl]amino]-4-nitrobenzoic acid Traditional Name: 2-[[3-(2-carboxy-5-nitro-anilino)-3-keto-propanoyl]amino]-4-nitro-benzoic acid Formula: C17H12N4O10 MolecularWeight: 432.29798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C17H12N4O10/c22-14(18-12-5-8(20(28)29)1-3-10(12)16(24)25)7-15(23)19-13-6-9(21(30)31)2-4-11(13)17(26)27/h1-6H,7H2,(H,18,22)(H,19,23)(H,24,25)(H,26,27)