1-[4-[(3-nitrophenyl)methylideneamino]-5-(2-oxidanylidenepropyl)-1,2,4-triazol-3-yl]propan-2-one

Systemtic Name: 1-[4-[(3-nitrophenyl)methylideneamino]-5-(2-oxidanylidenepropyl)-1,2,4-triazol-3-yl]propan-2-one Openeye Name: 1-[5-acetonyl-4-[(3-nitrophenyl)methyleneamino]-1,2,4-triazol-3-yl]propan-2-one CAS Name: 1-[4-[(3-nitrophenyl)methylideneamino]-5-(2-oxopropyl)-1,2,4-triazol-3-yl]-2-propanone IUPAC Name: 1-[4-[(3-nitrophenyl)methylideneamino]-5-(2-oxopropyl)-1,2,4-triazol-3-yl]propan-2-one Traditional Name: 1-[5-acetonyl-4-[(3-nitrobenzylidene)amino]-1,2,4-triazol-3-yl]acetone Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN=C(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)C

Isomeric SMILES

CC(=O)CC1=NN=C(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)C

InChI

InChI=1S/C15H15N5O4/c1-10(21)6-14-17-18-15(7-11(2)22)19(14)16-9-12-4-3-5-13(8-12)20(23)24/h3-5,8-9H,6-7H2,1-2H3