methyl 4-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 4-[[4-(3-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(3-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(m-anisidino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-12-17(25(27)28)18(22-15-5-4-6-16(11-15)29-2)24-20(21-12)23-14-9-7-13(8-10-14)19(26)30-3/h4-11H,1-3H3,(H2,21,22,23,24)