4-[2-azanyl-4-[di(propan-2-yl)carbamoyl]-6-nitro-phenyl]benzoic acid

Systemtic Name: 4-[2-azanyl-4-[di(propan-2-yl)carbamoyl]-6-nitro-phenyl]benzoic acid Openeye Name: 4-[2-amino-4-(diisopropylcarbamoyl)-6-nitro-phenyl]benzoic acid CAS Name: 4-[2-amino-4-[[di(propan-2-yl)amino]-oxomethyl]-6-nitrophenyl]benzoic acid IUPAC Name: 4-[2-amino-4-[di(propan-2-yl)carbamoyl]-6-nitrophenyl]benzoic acid Traditional Name: 4-[2-amino-4-(diisopropylcarbamoyl)-6-nitro-phenyl]benzoic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-11(2)22(12(3)4)19(24)15-9-16(21)18(17(10-15)23(27)28)13-5-7-14(8-6-13)20(25)26/h5-12H,21H2,1-4H3,(H,25,26)