[4-[(6S)-6,12-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(6S)-6,12-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(6S)-6,12-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(6S)-6,12-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl] ester IUPAC Name: [4-[(6S)-6,12-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(6S)-6,12-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl] ester Formula: C27H18N4O4 MolecularWeight: 462.45622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C4C=CC=CC4=NC(N23)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C4C=CC=CC4=N[C@@H](N23)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H18N4O4/c32-27(18-6-5-7-19(16-18)31(33)34)35-20-14-12-17(13-15-20)25-28-22-9-2-1-8-21(22)26-29-23-10-3-4-11-24(23)30(25)26/h1-16,25,29H/t25-/m0/s1