2-chloranyl-3-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-chloronaphthalene-1,4-dione Traditional Name: 2-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-3-chloro-1,4-naphthoquinone Formula: C27H23ClN4O4 MolecularWeight: 502.94892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C27H23ClN4O4/c28-24-25(27(34)21-9-5-4-8-20(21)26(24)33)31-14-12-30(13-15-31)19-10-11-23(32(35)36)22(16-19)29-17-18-6-2-1-3-7-18/h1-11,16,29H,12-15,17H2