3-azanyl-1-ethyl-1,3-dimethyl-5-[2-[(4-nitrophenyl)amino]ethyl]pyrimidine-1,3-diium-2,4-dione

Systemtic Name: 3-azanyl-1-ethyl-1,3-dimethyl-5-[2-[(4-nitrophenyl)amino]ethyl]pyrimidine-1,3-diium-2,4-dione Openeye Name: 3-amino-1-ethyl-1,3-dimethyl-5-[2-(4-nitroanilino)ethyl]pyrimidine-1,3-diium-2,4-dione CAS Name: 3-amino-1-ethyl-1,3-dimethyl-5-[2-(4-nitroanilino)ethyl]pyrimidine-1,3-diium-2,4-dione IUPAC Name: 3-amino-1-ethyl-1,3-dimethyl-5-[2-(4-nitroanilino)ethyl]pyrimidine-1,3-diium-2,4-dione Traditional Name: 3-amino-1-ethyl-1,3-dimethyl-5-[2-(4-nitroanilino)ethyl]pyrimidine-1,3-diium-2,4-quinone Formula: C16H23N5O4+2 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)[N+](C1=O)(C)N)CCNC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C=C(C(=O)[N+](C1=O)(C)N)CCNC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N5O4/c1-4-20(2)11-12(15(22)21(3,17)16(20)23)9-10-18-13-5-7-14(8-6-13)19(24)25/h5-8,11,18H,4,9-10,17H2,1-3H3/q+2