6-[[4-[ethoxycarbonyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid

Systemtic Name: 6-[[4-[ethoxycarbonyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid Openeye Name: 6-[[4-[ethoxycarbonyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid CAS Name: 6-[[4-[ethoxycarbonyl(methyl)amino]-5-nitro-2-pyrimidinyl]amino]-1-naphthalenecarboxylic acid IUPAC Name: 6-[[4-[ethoxycarbonyl(methyl)amino]-5-nitropyrimidin-2-yl]amino]naphthalene-1-carboxylic acid Traditional Name: 6-[[4-[carbethoxy(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]-1-naphthoic acid Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC3=C(C=C2)C(=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)N(C)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC3=C(C=C2)C(=CC=C3)C(=O)O

InChI

InChI=1S/C19H17N5O6/c1-3-30-19(27)23(2)16-15(24(28)29)10-20-18(22-16)21-12-7-8-13-11(9-12)5-4-6-14(13)17(25)26/h4-10H,3H2,1-2H3,(H,25,26)(H,20,21,22)