ethyl 3-[2-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[4-amino-6-(dimethylamino)-s-triazin-2-yl]ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H21N7O5 MolecularWeight: 403.39254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=NC(=NC(=N2)N(C)C)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=NC(=NC(=N2)N(C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O5/c1-4-29-15(26)11-7-10(8-12(9-11)24(27)28)14(25)19-6-5-13-20-16(18)22-17(21-13)23(2)3/h7-9H,4-6H2,1-3H3,(H,19,25)(H2,18,20,21,22)