4-[naphthalen-2-ylmethyl-(3-nitrophenyl)amino]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[naphthalen-2-ylmethyl-(3-nitrophenyl)amino]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[N-(2-naphthylmethyl)-3-nitro-anilino]-2,4-dioxo-butanoic acid CAS Name: 4-[N-(2-naphthalenylmethyl)-3-nitroanilino]-2,4-dioxobutanoic acid IUPAC Name: 4-[N-(naphthalen-2-ylmethyl)-3-nitroanilino]-2,4-dioxobutanoic acid Traditional Name: 2,4-diketo-4-[N-(2-naphthylmethyl)-3-nitro-anilino]butyric acid Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN(C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN(C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C21H16N2O6/c24-19(21(26)27)12-20(25)22(17-6-3-7-18(11-17)23(28)29)13-14-8-9-15-4-1-2-5-16(15)10-14/h1-11H,12-13H2,(H,26,27)