methyl 4-[2-azanyl-4-[di(propan-2-yl)carbamoyl]-6-nitro-phenyl]benzoate

Systemtic Name: methyl 4-[2-azanyl-4-[di(propan-2-yl)carbamoyl]-6-nitro-phenyl]benzoate Openeye Name: methyl 4-[2-amino-4-(diisopropylcarbamoyl)-6-nitro-phenyl]benzoate CAS Name: 4-[2-amino-4-[[di(propan-2-yl)amino]-oxomethyl]-6-nitrophenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-4-[di(propan-2-yl)carbamoyl]-6-nitrophenyl]benzoate Traditional Name: 4-[2-amino-4-(diisopropylcarbamoyl)-6-nitro-phenyl]benzoic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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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)OC)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)OC)N

InChI

InChI=1S/C21H25N3O5/c1-12(2)23(13(3)4)20(25)16-10-17(22)19(18(11-16)24(27)28)14-6-8-15(9-7-14)21(26)29-5/h6-13H,22H2,1-5H3