N-[[7-chloranyl-2-(phenylmethyl)-4H-chromen-4-yl]methyl]-4-(3,5-dinitrophenyl)butan-2-amine

Systemtic Name: N-[[7-chloranyl-2-(phenylmethyl)-4H-chromen-4-yl]methyl]-4-(3,5-dinitrophenyl)butan-2-amine Openeye Name: N-[(2-benzyl-7-chloro-4H-chromen-4-yl)methyl]-4-(3,5-dinitrophenyl)butan-2-amine CAS Name: N-[[7-chloro-2-(phenylmethyl)-4H-1-benzopyran-4-yl]methyl]-4-(3,5-dinitrophenyl)-2-butanamine IUPAC Name: N-[(2-benzyl-7-chloro-4H-chromen-4-yl)methyl]-4-(3,5-dinitrophenyl)butan-2-amine Traditional Name: (2-benzyl-7-chloro-4H-chromen-4-yl)methyl-[3-(3,5-dinitrophenyl)-1-methyl-propyl]amine Formula: C27H26ClN3O5 MolecularWeight: 507.96544

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])NCC2C=C(OC3=C2C=CC(=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC(CCC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])NCC2C=C(OC3=C2C=CC(=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O5/c1-18(7-8-20-11-23(30(32)33)16-24(12-20)31(34)35)29-17-21-14-25(13-19-5-3-2-4-6-19)36-27-15-22(28)9-10-26(21)27/h2-6,9-12,14-16,18,21,29H,7-8,13,17H2,1H3