4-[(4-chlorophenyl)methylamino]-3-nitro-chromen-2-one

Systemtic Name: 4-[(4-chlorophenyl)methylamino]-3-nitro-chromen-2-one Openeye Name: 4-[(4-chlorophenyl)methylamino]-3-nitro-chromen-2-one CAS Name: 4-[(4-chlorophenyl)methylamino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[(4-chlorophenyl)methylamino]-3-nitrochromen-2-one Traditional Name: 4-[(4-chlorobenzyl)amino]-3-nitro-coumarin Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O4/c17-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)23-16(20)15(14)19(21)22/h1-8,18H,9H2