(1-azanyl-5-oxidanylidene-3,5-diphenyl-pentan-2-yl) propanoate; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: (1-azanyl-5-oxidanylidene-3,5-diphenyl-pentan-2-yl) propanoate; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: [1-(aminomethyl)-4-oxo-2,4-diphenyl-butyl] propanoate; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; propanoic acid (1-amino-5-oxo-3,5-diphenylpentan-2-yl) ester IUPAC Name: (1-amino-5-oxo-3,5-diphenylpentan-2-yl) propanoate; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one; propionic acid [1-(aminomethyl)-4-keto-2,4-diphenyl-butyl] ester Formula: C30H31N5O8 MolecularWeight: 589.59584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CN)C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC(CN)C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO3.C10H8N4O5/c1-2-20(23)24-19(14-21)17(15-9-5-3-6-10-15)13-18(22)16-11-7-4-8-12-16;1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h3-12,17,19H,2,13-14,21H2,1H3;2-5,9H,1H3