ethyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H25N5O6 MolecularWeight: 419.4317

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O6/c1-4-30-19(25)14-7-5-6-8-15(14)22-17-16(24(26)27)18(21-13-20-17)23(9-11-28-2)10-12-29-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,21,22)