[5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl phosphate

Systemtic Name: [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl phosphate Openeye Name: [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl phosphate CAS Name: phosphoric acid [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl ester IUPAC Name: [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl phosphate Traditional Name: phosphoric acid [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl ester Formula: C19H19ClN3O6P MolecularWeight: 451.797421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOP(=O)(OCC)OC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN3O6P/c1-3-27-30(26,28-4-2)29-18-12-21-19(13-5-7-14(20)8-6-13)16-11-15(23(24)25)9-10-17(16)22-18/h5-11H,3-4,12H2,1-2H3