N,N-bis(2-chloroethyl)-3-(diethylaminomethyl)aniline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: N,N-bis(2-chloroethyl)-3-(diethylaminomethyl)aniline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: N,N-bis(2-chloroethyl)-3-(diethylaminomethyl)aniline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: N,N-bis(2-chloroethyl)-3-(diethylaminomethyl)aniline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: N,N-bis(2-chloroethyl)-3-(diethylaminomethyl)aniline; 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: bis(2-chloroethyl)-[3-(diethylaminomethyl)phenyl]amine; 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C25H32Cl2N6O5 MolecularWeight: 567.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)N(CCCl)CCCl.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)N(CCCl)CCCl.CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H24Cl2N2.C10H8N4O5/c1-3-18(4-2)13-14-6-5-7-15(12-14)19(10-8-16)11-9-17;1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h5-7,12H,3-4,8-11,13H2,1-2H3;2-5,9H,1H3