6-[(4-ethoxyphenyl)methyl]-3-[(3-nitrophenyl)amino]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-ethoxyphenyl)methyl]-3-[(3-nitrophenyl)amino]-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-ethoxyphenyl)methyl]-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-ethoxyphenyl)methyl]-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-ethoxyphenyl)methyl]-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-ethoxybenzyl)-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4/c1-2-27-15-8-6-12(7-9-15)10-16-17(24)20-18(22-21-16)19-13-4-3-5-14(11-13)23(25)26/h3-9,11H,2,10H2,1H3,(H2,19,20,22,24)