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

Systemtic Name: methyl 2-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[(6-anilino-5-nitro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-anilino-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C18H15N5O4/c1-27-18(24)13-9-5-6-10-14(13)22-17-15(23(25)26)16(19-11-20-17)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20,21,22)