methyl 4-[[4-(heptan-4-ylamino)-6-methyl-3-nitro-pyridin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-(heptan-4-ylamino)-6-methyl-3-nitro-pyridin-2-yl]amino]benzoate Openeye Name: methyl 4-[[6-methyl-3-nitro-4-(1-propylbutylamino)-2-pyridyl]amino]benzoate CAS Name: 4-[[4-(heptan-4-ylamino)-6-methyl-3-nitro-2-pyridinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(heptan-4-ylamino)-6-methyl-3-nitropyridin-2-yl]amino]benzoate Traditional Name: 4-[[6-methyl-3-nitro-4-(1-propylbutylamino)-2-pyridyl]amino]benzoic acid methyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C21H28N4O4/c1-5-7-16(8-6-2)23-18-13-14(3)22-20(19(18)25(27)28)24-17-11-9-15(10-12-17)21(26)29-4/h9-13,16H,5-8H2,1-4H3,(H2,22,23,24)