cyclopropyl-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: [4-(4-anilino-3-nitro-benzoyl)piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[(4-anilino-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-(4-anilino-3-nitro-benzoyl)piperazino]-cyclopropyl-methanone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c26-20(15-6-7-15)23-10-12-24(13-11-23)21(27)16-8-9-18(19(14-16)25(28)29)22-17-4-2-1-3-5-17/h1-5,8-9,14-15,22H,6-7,10-13H2