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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

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