2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 3-methylbenzoate

Systemtic Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 3-methylbenzoate Openeye Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl ester IUPAC Name: 2-(6-nitramido-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-(6-nitramido-2,4-dihydro-1H-s-triazin-3-yl)ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCN2CNC(=NC2)N[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCN2CNC(=NC2)N[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O4/c1-10-3-2-4-11(7-10)12(19)22-6-5-17-8-14-13(15-9-17)16-18(20)21/h2-4,7H,5-6,8-9H2,1H3,(H2,14,15,16)