3-nitro-4-(4-phenylbutylamino)chromen-2-one

Systemtic Name: 3-nitro-4-(4-phenylbutylamino)chromen-2-one Openeye Name: 3-nitro-4-(4-phenylbutylamino)chromen-2-one CAS Name: 3-nitro-4-(4-phenylbutylamino)-1-benzopyran-2-one IUPAC Name: 3-nitro-4-(4-phenylbutylamino)chromen-2-one Traditional Name: 3-nitro-4-(4-phenylbutylamino)coumarin Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4/c22-19-18(21(23)24)17(15-11-4-5-12-16(15)25-19)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,20H,6-7,10,13H2