[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C25H19ClN2O7 MolecularWeight: 494.88056

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H19ClN2O7/c26-19-10-9-15(13-21(19)28(32)33)24(30)16-5-1-2-6-17(16)25(31)35-14-23(29)27-20-11-12-34-22-8-4-3-7-18(20)22/h1-10,13,20H,11-12,14H2,(H,27,29)